1JYK
Catalytic Mechanism of CTP:phosphocholine Cytidylyltransferase from Streptococcus pneumoniae (LicC)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-04-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9795, 0.9794 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.620, 63.590, 122.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.218 * |
| Rwork | 0.218 |
| R-free | 0.24100 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.370 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | XTALVIEW |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.048 * | |
| Total number of observations | 1187180 * | |
| Number of reflections | 54137 | |
| <I/σ(I)> | 36.8 | |
| Completeness [%] | 99.9 | 99.7 * |
| Redundancy | 2.79 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7.5 | 18 * | sodium citrate, ammonium sulfate, tartrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP at 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 23.3 (mg/ml) | |
| 2 | 1 | 1 | Tris | 50 (mM) | pH7.5 |
| 3 | 1 | 1 | dithiothreitol | 1 (mM) | |
| 4 | 1 | 1 | EDTA | 1 (mM) | |
| 5 | 1 | 2 | sodium citrate | 0.1 (M) | |
| 6 | 1 | 2 | ammonium sulfate | 1.85 (M) | |
| 7 | 1 | 2 | sodium potassium tartrate | 0.2 (M) | pH5.8 |
